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GPCR

NameCholecystokinin receptor type A
SpeciesMus musculus (Mouse)
GeneCckar
SynonymCCK-A receptor
CCK-AR
CCK1 receptor
CCK1-R
cholecystokinin receptor type A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length436
Amino acid sequenceMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSAVQILLYSFIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLIPGVVMVVAYGLISLELYQGIKFDASQKKSAKEKRLSSGGGGGGGSSSSRYEDSDGCYLQKSRPPRKLELQQLSTSSSGGRINRIRSSGSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPTGVRGEVGEEEDGRTIRASLSRYSYSHMSTSAPPH
UniProtO08786
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2798
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL29331
Molecular formulaC46H55N7O5
IUPAC name6-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]hexanamide
Molecular weight785.99
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP6.2
Synonyms6-{2-[2-Oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-hexanoic acid [3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-amide
BDBM50287238
Inchi KeyKABZRBRZZFAAPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C46H55N7O5/c1-34-16-13-20-37(30-34)49-46(57)51-44-45(56)53(40-23-9-8-22-39(40)43(50-44)36-18-5-2-6-19-36)33-42(55)48-25-10-3-7-24-41(54)47-26-15-29-58-38-21-14-17-35(31-38)32-52-27-11-4-12-28-52/h2,5-6,8-9,13-14,16-23,30-31,44H,3-4,7,10-12,15,24-29,32-33H2,1H3,(H,47,54)(H,48,55)(H2,49,51,57)
PubChem CID44280200
ChEMBLCHEMBL29331
IUPHARN/A
BindingDB50287238
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50650.0 nMBioorg. Med. Chem. Lett., (1996) 6:13:1421, BindingDB,ChEMBL

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